N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-methylpropane-1-sulfonamide

C13H27NO3S — CID 65121924

IUPACN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)NCC1(O)CCC(C)(C)CC1
InChIInChI=1S/C13H27NO3S/c1-11(2)9-18(16,17)14-10-13(15)7-5-12(3,4)6-8-13/h11,14-15H,5-10H2,1-4H3
InChIKeyYTSAIBHKGFJNBY-UHFFFAOYSA-N
MW277.43 g/mol
LogP1.89
Rot. Bonds5

About N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-methylpropane-1-sulfonamide

N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-methylpropane-1-sulfonamide (PubChem CID 65121924) has the molecular formula C13H27NO3S and a molecular weight of 277.43 g/mol. Its IUPAC name is N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-methylpropane-1-sulfonamide
PubChem CID65121924
Molecular FormulaC13H27NO3S
Molecular Weight277.43 g/mol
Exact Mass277.17
IUPAC NameN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)NCC1(O)CCC(C)(C)CC1
InChIInChI=1S/C13H27NO3S/c1-11(2)9-18(16,17)14-10-13(15)7-5-12(3,4)6-8-13/h11,14-15H,5-10H2,1-4H3
InChIKeyYTSAIBHKGFJNBY-UHFFFAOYSA-N
XLogP1.89
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-methylpropane-1-sulfonamide?
The IUPAC name of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-methylpropane-1-sulfonamide (CID 65121924) is N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-methylpropane-1-sulfonamide.
What is the SMILES notation for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-methylpropane-1-sulfonamide?
The canonical SMILES for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-methylpropane-1-sulfonamide is CC(C)CS(=O)(=O)NCC1(O)CCC(C)(C)CC1.
What is the InChIKey of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-methylpropane-1-sulfonamide?
The InChIKey is YTSAIBHKGFJNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3S/c1-11(2)9-18(16,17)14-10-13(15)7-5-12(3,4)6-8-13/h11,14-15H,5-10H2,1-4H3.
What are the key properties of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-methylpropane-1-sulfonamide?
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-methylpropane-1-sulfonamide has a molecular weight of 277.43 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 65121924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).